CID 2736185

3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol

Structural Information

Molecular Formula
C5H6F6O
SMILES
CC(CO)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C5H6F6O/c1-3(2-12,4(6,7)8)5(9,10)11/h12H,2H2,1H3
InChIKey
PDVIQMXPNJDUGQ-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

196.03229 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03957 132.7
[M+Na]+ 219.02151 141.5
[M-H]- 195.02501 124.6
[M+NH4]+ 214.06611 151.3
[M+K]+ 234.99545 139.9
[M+H-H2O]+ 179.02955 124.8
[M+HCOO]- 241.03049 144.4
[M+CH3COO]- 255.04614 180.8
[M+Na-2H]- 217.00696 138.5
[M]+ 196.03174 123.4
[M]- 196.03284 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe